3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-cycloheptyl-1-(naphthalen-2-ylmethyl)urea

Systemtic Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-cycloheptyl-1-(naphthalen-2-ylmethyl)urea Openeye Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-1-cycloheptyl-1-(2-naphthylmethyl)urea CAS Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-1-cycloheptyl-1-(2-naphthalenylmethyl)urea IUPAC Name: 3-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-1-cycloheptyl-1-(naphthalen-2-ylmethyl)urea Traditional Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-1-cycloheptyl-1-(2-naphthylmethyl)urea Formula: C29H37N3OS2 MolecularWeight: 507.75358

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4CCCCCC4)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4CCCCCC4)SCC)C

InChI

InChI=1S/C29H37N3OS2/c1-4-34-26-18-21(3)30-28(35-5-2)27(26)31-29(33)32(25-14-8-6-7-9-15-25)20-22-16-17-23-12-10-11-13-24(23)19-22/h10-13,16-19,25H,4-9,14-15,20H2,1-3H3,(H,31,33)